Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Biomolecular simulation: a computational microscope for molecular biology

RO Dror, RM Dirks, JP Grossman, H Xu… - Annual review of …, 2012 - annualreviews.org
Molecular dynamics simulations capture the behavior of biological macromolecules in full
atomic detail, but their computational demands, combined with the challenge of …

Emerging diversity in lipid–protein interactions

V Corradi, BI Sejdiu, H Mesa-Galloso… - Chemical …, 2019 - ACS Publications
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

Molecular mechanisms in signal transduction at the membrane

JT Groves, J Kuriyan - Nature structural & molecular biology, 2010 - nature.com
Signal transduction originates at the membrane, where the clustering of signaling proteins is
a key step in transmitting a message. Membranes are difficult to study, and their influence on …

Membrane cholesterol access into a G-protein-coupled receptor

R Guixà-González, JL Albasanz… - Nature …, 2017 - nature.com
Cholesterol is a key component of cell membranes with a proven modulatory role on the
function and ligand-binding properties of G-protein-coupled receptors (GPCRs). Crystal …

The significance of G protein-coupled receptor crystallography for drug discovery

JA Salon, DT Lodowski, K Palczewski… - Pharmacological reviews, 2011 - Elsevier
Crucial as molecular sensors for many vital physiological processes, seven-transmembrane
domain G protein-coupled receptors (GPCRs) comprise the largest family of proteins …

Biological membranes: the importance of molecular detail

AG Lee - Trends in biochemical sciences, 2011 - cell.com
Are lipid interactions with membrane proteins best described in terms of the physical
properties of the lipid bilayer or in terms of direct molecular interactions between particular …

Cholesterol, sphingolipids, and glycolipids: what do we know about their role in raft-like membranes?

T Róg, I Vattulainen - Chemistry and physics of lipids, 2014 - Elsevier
Lipids rafts are considered to be functional nanoscale membrane domains enriched in
cholesterol and sphingolipids, characteristic in particular of the external leaflet of cell …